4-[2-(Trifluoromethyl)-1-pyrrolidinyl]-piperidine

C10H17F3N2 — CID 66570745

IUPAC4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine
SMILESC1CC(N(C1)C2CCNCC2)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c11-10(12,13)9-2-1-7-15(9)8-3-5-14-6-4-8/h8-9,14H,1-7H2
InChIKeyCXYOVFJWORUYTD-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.10
Rot. Bonds1

About 4-[2-(Trifluoromethyl)-1-pyrrolidinyl]-piperidine

4-[2-(Trifluoromethyl)-1-pyrrolidinyl]-piperidine (PubChem CID 66570745) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name4-[2-(Trifluoromethyl)-1-pyrrolidinyl]-piperidine
PubChem CID66570745
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine
SMILESC1CC(N(C1)C2CCNCC2)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c11-10(12,13)9-2-1-7-15(9)8-3-5-14-6-4-8/h8-9,14H,1-7H2
InChIKeyCXYOVFJWORUYTD-UHFFFAOYSA-N
XLogP2.10
TPSA15.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity211

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(Trifluoromethyl)-1-pyrrolidinyl]-piperidine?
The IUPAC name of 4-[2-(Trifluoromethyl)-1-pyrrolidinyl]-piperidine (CID 66570745) is 4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidine.
What is the SMILES notation for 4-[2-(Trifluoromethyl)-1-pyrrolidinyl]-piperidine?
The canonical SMILES for 4-[2-(Trifluoromethyl)-1-pyrrolidinyl]-piperidine is C1CC(N(C1)C2CCNCC2)C(F)(F)F.
What is the InChIKey of 4-[2-(Trifluoromethyl)-1-pyrrolidinyl]-piperidine?
The InChIKey is CXYOVFJWORUYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c11-10(12,13)9-2-1-7-15(9)8-3-5-14-6-4-8/h8-9,14H,1-7H2.
What are the key properties of 4-[2-(Trifluoromethyl)-1-pyrrolidinyl]-piperidine?
4-[2-(Trifluoromethyl)-1-pyrrolidinyl]-piperidine has a molecular weight of 222.25 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(Trifluoromethyl)-1-pyrrolidinyl]-piperidine is sourced from PubChem (CID 66570745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).